4-(5,7-dimethylindol-1-yl)butan-1-amine

C14H20N2 — CID 83968682

IUPAC4-(5,7-dimethylindol-1-yl)butan-1-amine
SMILESCc1cc(C)c2c(ccn2CCCCN)c1
InChIInChI=1S/C14H20N2/c1-11-9-12(2)14-13(10-11)5-8-16(14)7-4-3-6-15/h5,8-10H,3-4,6-7,15H2,1-2H3
InChIKeySRWUTFWUMFKQOI-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.00
Rot. Bonds4

About 4-(5,7-dimethylindol-1-yl)butan-1-amine

4-(5,7-dimethylindol-1-yl)butan-1-amine (PubChem CID 83968682) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(5,7-dimethylindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5,7-dimethylindol-1-yl)butan-1-amine
PubChem CID83968682
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(5,7-dimethylindol-1-yl)butan-1-amine
SMILESCc1cc(C)c2c(ccn2CCCCN)c1
InChIInChI=1S/C14H20N2/c1-11-9-12(2)14-13(10-11)5-8-16(14)7-4-3-6-15/h5,8-10H,3-4,6-7,15H2,1-2H3
InChIKeySRWUTFWUMFKQOI-UHFFFAOYSA-N
XLogP3.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687
2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
2-(5-chloro-7-methylindol-1-yl)ethanamine
CID 130281365
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
4-(5,7-dimethoxyindol-1-yl)butan-1-amine
CID 83968623
tert-butyl 2-(5,7-dimethylindol-1-yl)acetate
CID 70291358
1-(2-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83945940
4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
CID 71778142
4-(6-bromoindol-1-yl)butan-1-amine
CID 62566051
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
6-pyrrolo[2,3-c]pyridin-1-ylhexan-1-amine
CID 139389752
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethylindol-1-yl)butan-1-amine?
The IUPAC name of 4-(5,7-dimethylindol-1-yl)butan-1-amine (CID 83968682) is 4-(5,7-dimethylindol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(5,7-dimethylindol-1-yl)butan-1-amine?
The canonical SMILES for 4-(5,7-dimethylindol-1-yl)butan-1-amine is Cc1cc(C)c2c(ccn2CCCCN)c1.
What is the InChIKey of 4-(5,7-dimethylindol-1-yl)butan-1-amine?
The InChIKey is SRWUTFWUMFKQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-9-12(2)14-13(10-11)5-8-16(14)7-4-3-6-15/h5,8-10H,3-4,6-7,15H2,1-2H3.
What are the key properties of 4-(5,7-dimethylindol-1-yl)butan-1-amine?
4-(5,7-dimethylindol-1-yl)butan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethylindol-1-yl)butan-1-amine is sourced from PubChem (CID 83968682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).